3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione

C10H10N6O3 — CID 66284011

IUPAC3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc3n[nH]c(=O)n3n2)C(=O)N1
InChIInChI=1S/C10H10N6O3/c17-8-4-1-5(9(18)12-8)11-6-2-3-7-13-14-10(19)16(7)15-6/h2-3,5H,1,4H2,(H,11,15)(H,14,19)(H,12,17,18)
InChIKeyFEQDOMUGUKHBKW-UHFFFAOYSA-N
MW262.23 g/mol
LogP-1.37
Rot. Bonds2

About 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione

3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione (PubChem CID 66284011) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
PubChem CID66284011
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc3n[nH]c(=O)n3n2)C(=O)N1
InChIInChI=1S/C10H10N6O3/c17-8-4-1-5(9(18)12-8)11-6-2-3-7-13-14-10(19)16(7)15-6/h2-3,5H,1,4H2,(H,11,15)(H,14,19)(H,12,17,18)
InChIKeyFEQDOMUGUKHBKW-UHFFFAOYSA-N
XLogP-1.37
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281643
6-[(2,2-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 79870359
3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
CID 164719881
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284001
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281706
6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102609153
3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
CID 177356085
ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
CID 170749748
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283400
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione (CID 66284011) is 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione is O=C1CCC(Nc2ccc3n[nH]c(=O)n3n2)C(=O)N1.
What is the InChIKey of 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione?
The InChIKey is FEQDOMUGUKHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c17-8-4-1-5(9(18)12-8)11-6-2-3-7-13-14-10(19)16(7)15-6/h2-3,5H,1,4H2,(H,11,15)(H,14,19)(H,12,17,18).
What are the key properties of 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione?
3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione has a molecular weight of 262.23 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 66284011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).